Account N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide
- Catalog No. :
- ACUCPF772
- CAS No. :
- 112568-12-4
- Molecular Formula :
- C82H108ClN17O14
- Molecular Weight :
- 1591.32
IUPAC Name:N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide
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Product Information
| Product Name | N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide |
|---|---|
| IUPAC Name | N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide |
| Molecular Formula | C82H108ClN17O14 |
| Molecular Weight | 1591.32 |
| SMILES | CC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H](CC1=CC=C(Cl)C=C1)C(=O)N[C@H](CC1=CN=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)C1=CN=CC=C1)C(=O)N[C@H](CCCCNC(=O)C1=CN=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O |
| InChI Key | QRYFGTULTGLGHU-NBERXCRTSA-N |
| Synonym | iturelix;Ac-D-2-Nal-4-chloro-D-Phe-beta-(3-pyridyl)-D-Ala-Ser-Lys(nicotinoyl)-D-Lys(nicotinoyl)-Leu-Lys(isopropyl)-Pro-D-Ala-NH2;AC-DNAL-D: P-CLPHE-DPAL-SER-LYS: NICOTINOYL-DLYS: NICOTINOYL-LEU-LYS: ISOPROPYL-PRO-DALA-NH2;Brn 4866881;D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N(sup 6)-(3-pyridinylcarbonyl)-L-lysyl-N(sup 6)-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-;D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N6-(3-pyridinylcarbonyl)-L-lysyl-N6-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-;Orf 23541;Ac-D-2-Nal-4-chloro-D-Phe-b-(3-pyridyl)-D-Ala-Ser-Lys(nicotinoyl)-D-Lys(nicotinoyl)-Leu-Lys(isopropyl)-Pro-D-Ala-NH2 |
| CAS No. | 112568-12-4 |
Synthetic Route by SureRoute
2. ACUCPF772 Molecular Building Block Synthetic Route
N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate
A 76154
Teverelix